CID 218194

Brn 0925625

Structural Information

Molecular Formula
C14H14N2O4
SMILES
CC1=C(C=C(C=C1)C2=NC(=C(N2)C(=O)C(=O)OC)O)C
InChI
InChI=1S/C14H14N2O4/c1-7-4-5-9(6-8(7)2)12-15-10(13(18)16-12)11(17)14(19)20-3/h4-6,18H,1-3H3,(H,15,16)
InChIKey
RVHWUKVPWJTBKL-UHFFFAOYSA-N
Compound name
methyl 2-[2-(3,4-dimethylphenyl)-4-hydroxy-1H-imidazol-5-yl]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.09537 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.102646 160.6
[M+Na]+ 297.084588 169.5
[M-H]- 273.088094 163.3
[M+NH4]+ 292.129193 174.8
[M+K]+ 313.058528 166.1
[M+H-H2O]+ 257.092630 153.2
[M+HCOO]- 319.093571 179.3
[M+CH3COO]- 333.109221 194.9
[M+Na-2H]- 295.070036 160.2
[M]+ 274.09482142 162.4
[M]- 274.09591858 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.